Molecule

ID:96383

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉F₆NO
Molecular Mass
333.2284792
Exact Mass
333.05883323
Charge
0
InChI
InChI=1S/C15H9F6NO/c16-14(17,18)11-5-3-6-12(8-11)22-9-10-4-1-2-7-13(10)23-15(19,20)21/h1-9H
InChIKey
OOXDXZKIQKXLDX-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccccc1/C=N/c1cccc(c1)C(F)(F)F)(F)F
Isomeric Smiles
O(c1ccccc1/C=N/c1cccc(c1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.156429
LogD (pH = 7.4)
6.1564665
Log P
6.156467
Molar Refractivity
70.4316
Polarizability
25.610748
Polar Surface Area
21.59
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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